Basic information
- CAS
116369-24-5- Standard SMILES
Nc1cc(Cl)c(Br)cc1F- InChIKey
SKJMNEFZWYBTHT-UHFFFAOYSA-N- Molecular formula
- C6H4BrClFN
- Average molar mass
- 224.46 g/mol
- Monoisotopic mass
- 222.91996713
Names & identifiers
- Preferred name
- 4-Bromo-5-chloro-2-fluoroaniline
- IUPAC
- 4-bromo-5-chloro-2-fluoroaniline
- English name
- 4-Bromo-5-chloro-2-fluoroaniline
- Molecular formula
- C6H4BrClFN
- Molecular weight
- 224.46
Names & synonyms
4-Bromo-5-chloro-2-fluoroaniline116369-24-5DTXSID105563264-Bromo-5-chloro-2-fluorobenzenamineRefChem:520091DTXCID40507109674-962-0Benzenamine, 4-bromo-5-chloro-2-fluoro-MFCD098781734-bromo-5-chloro-2-fluoro-anilineSCHEMBL2295563AKOS024224050
Show more names
2-Fluoro-4-Bromo-5-Chloroaniline
DS-9252SB79855SY139390CS-0041963AMY28073REA36924DB-106658EN300-103919
Database identifiers
- CAS
116369-24-5- PubChem CID
- 14129196
- DTXSID
DTXSID10556326- EC Number
- 674-962-0
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 258.9 · 258.9±35.0 °C(Predicted)
- Density
- 1.809 · 1.809±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 1.44 · 1.44±0.10(Predicted)
- Appearance
- Off-white to gray Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2921490090 · 2921490090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers69 total
合肥胜航医药科技有限公司19156016681 18326946292 · [email protected]
上海策嵘生物科技有限公司[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州市阿尔捷化工商贸有限公司13813686894 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
Related reactions
2 records
Compound notes
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